butyl cyclopropanecarboxylate

• ChemBase ID: 813350
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C(=O)(OCCCC)C1CC1
• Canonical SMILES: CCCCOC(=O)C1CC1
• InChI: InChI=1S/C8H14O2/c1-2-3-6-10-8(9)7-4-5-7/h7H,2-6H2,1H3
• InChIKey: BSIDLADQGVTILP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl cyclopropanecarboxylate
• IUPAC Traditional name: butyl cyclopropanecarboxylate
• Synonyms: CYCLOPROPYL BUTYL FORMATE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0262437
• LogD (pH = 7.4): 2.0262437
• Log P: 2.0262437
• Molar Refractivity: 38.6856 cm^3
• Polarizability: 15.5047455 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%